- InChI
- InChI=1S/C5H11NO/c1-3-4-5-6-7-2/h5H,3-4H2,1-2H3
- InChI Key
- BMDFNHAUSSAITP-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CCCC=NOC
- Molecular Weight1
- 101.15
- CAS
- 31376-98-4
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4398 | Relay (1.0) Calculated Property | |
| ΔfG° | 108.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -65.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 33.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 ± 0.05 | eV | NIST |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.419 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | [680.00; 680.00] |
|
|
| Inp | 680.00 | NIST | |
| Inp | 680.00 | NIST | |
| Tboil | 359.17 | K | Relay (1.0) Calculated Property |
| Tc | 544.93 | K | Relay (1.0) Calculated Property |
| Tfus | 209.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butanal, O-methyloxime.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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